(2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate
(2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | 3341-3852 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 4-tert-butylbenzoate |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C28 H25 N O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(=O)OC(c1ccc2c(c1)OCO2)c1c2ccccc2ccn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.3748 |
| logD: | 7.3747 |
| logSw: | -6.422 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.763 |
| InChI Key: | MAIXTLCTHSSOGL-SANMLTNESA-N |